N-benzylpropan-2-amine;4-bromo-2-propan-2-yl-3H-isoindol-1-one;5-bromo-2-propan-2-yl-3H-isoindol-1-one;tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;4-fluoro-2-propan-2-yl-3H-isoindol-1-one;5-fluoro-2-propan-2-yl-3H-isoindol-1-one;7-fluoro-2-propan-2-yl-3H-isoindol-1-one;5-methyl-2-propan-2-yl-3H-isoindol-1-one;tris(6-methyl-2-propan-2-yl-3H-isoindol-1-one);3-methyl-5-propan-2-yl-1,2-oxazole;2-methyl-N-propan-2-ylpropanamide;1-oxo-2-propan-2-yl-3H-isoindole-4-carbonitrile;N-(1-phenylethyl)propan-2-amine;N-(2-phenylethyl)propan-2-amine;N-propan-2-ylacetamide;2-propan-2-yl-3H-isoindol-1-one;N-propan-2-ylpropanamide;N-propan-2-ylpyridine-3-carboxamide

C213H298Br2F3N25O22 — CID 159062199

IUPACN-benzylpropan-2-amine;4-bromo-2-propan-2-yl-3H-isoindol-1-one;5-bromo-2-propan-2-yl-3H-isoindol-1-one;tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;4-fluoro-2-propan-2-yl-3H-isoindol-1-one;5-fluoro-2-propan-2-yl-3H-isoindol-1-one;7-fluoro-2-propan-2-yl-3H-isoindol-1-one;5-methyl-2-propan-2-yl-3H-isoindol-1-one;tris(6-methyl-2-propan-2-yl-3H-isoindol-1-one);3-methyl-5-propan-2-yl-1,2-oxazole;2-methyl-N-propan-2-ylpropanamide;1-oxo-2-propan-2-yl-3H-isoindole-4-carbonitrile;N-(1-phenylethyl)propan-2-amine;N-(2-phenylethyl)propan-2-amine;N-propan-2-ylacetamide;2-propan-2-yl-3H-isoindol-1-one;N-propan-2-ylpropanamide;N-propan-2-ylpyridine-3-carboxamide
SMILESCC(=O)NC(C)C.CC(C)N1Cc2c(Br)cccc2C1=O.CC(C)N1Cc2c(C#N)cccc2C1=O.CC(C)N1Cc2c(F)cccc2C1=O.CC(C)N1Cc2cc(Br)ccc2C1=O.CC(C)N1Cc2cc(F)ccc2C1=O.CC(C)N1Cc2cccc(F)c2C1=O.CC(C)N1Cc2ccccc2C1=O.CC(C)NC(=O)C(C)C.CC(C)NC(=O)C(C)NC(=O)OC(C)(C)C.CC(C)NC(=O)CNC(=O)OC(C)(C)C.CC(C)NC(=O)c1cccnc1.CC(C)NC(C)c1ccccc1.CC(C)NCCc1ccccc1.CC(C)NCc1ccccc1.CCC(=O)NC(C)C.Cc1cc(C(C)C)on1.Cc1ccc2c(c1)C(=O)N(C(C)C)C2.Cc1ccc2c(c1)C(=O)N(C(C)C)C2.Cc1ccc2c(c1)C(=O)N(C(C)C)C2.Cc1ccc2c(c1)CN(C(C)C)C2=O
InChIInChI=1S/C12H12N2O.4C12H15NO.2C11H12BrNO.3C11H12FNO.C11H22N2O3.C11H13NO.2C11H17N.C10H20N2O3.C10H15N.C9H12N2O.C7H11NO.C7H15NO.C6H13NO.C5H11NO/c1-8(2)14-7-11-9(6-13)4-3-5-10(11)12(14)15;1-8(2)13-7-10-6-9(3)4-5-11(10)12(13)14;3*1-8(2)13-7-10-5-4-9(3)6-11(10)12(13)14;1-7(2)13-6-8-5-9(12)3-4-10(8)11(13)14;1-7(2)13-6-9-8(11(13)14)4-3-5-10(9)12;1-7(2)13-6-8-5-9(12)3-4-10(8)11(13)14;1-7(2)13-6-9-8(11(13)14)4-3-5-10(9)12;1-7(2)13-6-8-4-3-5-9(12)10(8)11(13)14;1-7(2)12-9(14)8(3)13-10(15)16-11(4,5)6;1-8(2)12-7-9-5-3-4-6-10(9)11(12)13;1-9(2)12-10(3)11-7-5-4-6-8-11;1-10(2)12-9-8-11-6-4-3-5-7-11;1-7(2)12-8(13)6-11-9(14)15-10(3,4)5;1-9(2)11-8-10-6-4-3-5-7-10;1-7(2)11-9(12)8-4-3-5-10-6-8;1-5(2)7-4-6(3)8-9-7;1-5(2)7(9)8-6(3)4;1-4-6(8)7-5(2)3;1-4(2)6-5(3)7/h3-5,8H,7H2,1-2H3;4*4-6,8H,7H2,1-3H3;5*3-5,7H,6H2,1-2H3;7-8H,1-6H3,(H,12,14)(H,13,15);3-6,8H,7H2,1-2H3;4-10,12H,1-3H3;3-7,10,12H,8-9H2,1-2H3;7H,6H2,1-5H3,(H,11,14)(H,12,13);3-7,9,11H,8H2,1-2H3;3-7H,1-2H3,(H,11,12);4-5H,1-3H3;5-6H,1-4H3,(H,8,9);5H,4H2,1-3H3,(H,7,8);4H,1-3H3,(H,6,7)
InChIKeyJYPNGUKLSDBINC-UHFFFAOYSA-N
MW3777.68 g/mol
LogP41.17
Rot. Bonds35

About N-benzylpropan-2-amine;4-bromo-2-propan-2-yl-3H-isoindol-1-one;5-bromo-2-propan-2-yl-3H-isoindol-1-one;tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;4-fluoro-2-propan-2-yl-3H-isoindol-1-one;5-fluoro-2-propan-2-yl-3H-isoindol-1-one;7-fluoro-2-propan-2-yl-3H-isoindol-1-one;5-methyl-2-propan-2-yl-3H-isoindol-1-one;tris(6-methyl-2-propan-2-yl-3H-isoindol-1-one);3-methyl-5-propan-2-yl-1,2-oxazole;2-methyl-N-propan-2-ylpropanamide;1-oxo-2-propan-2-yl-3H-isoindole-4-carbonitrile;N-(1-phenylethyl)propan-2-amine;N-(2-phenylethyl)propan-2-amine;N-propan-2-ylacetamide;2-propan-2-yl-3H-isoindol-1-one;N-propan-2-ylpropanamide;N-propan-2-ylpyridine-3-carboxamide

N-benzylpropan-2-amine;4-bromo-2-propan-2-yl-3H-isoindol-1-one;5-bromo-2-propan-2-yl-3H-isoindol-1-one;tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;4-fluoro-2-propan-2-yl-3H-isoindol-1-one;5-fluoro-2-propan-2-yl-3H-isoindol-1-one;7-fluoro-2-propan-2-yl-3H-isoindol-1-one;5-methyl-2-propan-2-yl-3H-isoindol-1-one;tris(6-methyl-2-propan-2-yl-3H-isoindol-1-one);3-methyl-5-propan-2-yl-1,2-oxazole;2-methyl-N-propan-2-ylpropanamide;1-oxo-2-propan-2-yl-3H-isoindole-4-carbonitrile;N-(1-phenylethyl)propan-2-amine;N-(2-phenylethyl)propan-2-amine;N-propan-2-ylacetamide;2-propan-2-yl-3H-isoindol-1-one;N-propan-2-ylpropanamide;N-propan-2-ylpyridine-3-carboxamide (PubChem CID 159062199) has the molecular formula C213H298Br2F3N25O22 and a molecular weight of 3777.68 g/mol. Its IUPAC name is N-benzylpropan-2-amine;4-bromo-2-propan-2-yl-3H-isoindol-1-one;5-bromo-2-propan-2-yl-3H-isoindol-1-one;tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;4-fluoro-2-propan-2-yl-3H-isoindol-1-one;5-fluoro-2-propan-2-yl-3H-isoindol-1-one;7-fluoro-2-propan-2-yl-3H-isoindol-1-one;5-methyl-2-propan-2-yl-3H-isoindol-1-one;tris(6-methyl-2-propan-2-yl-3H-isoindol-1-one);3-methyl-5-propan-2-yl-1,2-oxazole;2-methyl-N-propan-2-ylpropanamide;1-oxo-2-propan-2-yl-3H-isoindole-4-carbonitrile;N-(1-phenylethyl)propan-2-amine;N-(2-phenylethyl)propan-2-amine;N-propan-2-ylacetamide;2-propan-2-yl-3H-isoindol-1-one;N-propan-2-ylpropanamide;N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzylpropan-2-amine;4-bromo-2-propan-2-yl-3H-isoindol-1-one;5-bromo-2-propan-2-yl-3H-isoindol-1-one;tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;4-fluoro-2-propan-2-yl-3H-isoindol-1-one;5-fluoro-2-propan-2-yl-3H-isoindol-1-one;7-fluoro-2-propan-2-yl-3H-isoindol-1-one;5-methyl-2-propan-2-yl-3H-isoindol-1-one;tris(6-methyl-2-propan-2-yl-3H-isoindol-1-one);3-methyl-5-propan-2-yl-1,2-oxazole;2-methyl-N-propan-2-ylpropanamide;1-oxo-2-propan-2-yl-3H-isoindole-4-carbonitrile;N-(1-phenylethyl)propan-2-amine;N-(2-phenylethyl)propan-2-amine;N-propan-2-ylacetamide;2-propan-2-yl-3H-isoindol-1-one;N-propan-2-ylpropanamide;N-propan-2-ylpyridine-3-carboxamide
PubChem CID159062199
Molecular FormulaC213H298Br2F3N25O22
Molecular Weight3777.68 g/mol
Exact Mass3773.13
IUPAC NameN-benzylpropan-2-amine;4-bromo-2-propan-2-yl-3H-isoindol-1-one;5-bromo-2-propan-2-yl-3H-isoindol-1-one;tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;4-fluoro-2-propan-2-yl-3H-isoindol-1-one;5-fluoro-2-propan-2-yl-3H-isoindol-1-one;7-fluoro-2-propan-2-yl-3H-isoindol-1-one;5-methyl-2-propan-2-yl-3H-isoindol-1-one;tris(6-methyl-2-propan-2-yl-3H-isoindol-1-one);3-methyl-5-propan-2-yl-1,2-oxazole;2-methyl-N-propan-2-ylpropanamide;1-oxo-2-propan-2-yl-3H-isoindole-4-carbonitrile;N-(1-phenylethyl)propan-2-amine;N-(2-phenylethyl)propan-2-amine;N-propan-2-ylacetamide;2-propan-2-yl-3H-isoindol-1-one;N-propan-2-ylpropanamide;N-propan-2-ylpyridine-3-carboxamide
SMILESCC(=O)NC(C)C.CC(C)N1Cc2c(Br)cccc2C1=O.CC(C)N1Cc2c(C#N)cccc2C1=O.CC(C)N1Cc2c(F)cccc2C1=O.CC(C)N1Cc2cc(Br)ccc2C1=O.CC(C)N1Cc2cc(F)ccc2C1=O.CC(C)N1Cc2cccc(F)c2C1=O.CC(C)N1Cc2ccccc2C1=O.CC(C)NC(=O)C(C)C.CC(C)NC(=O)C(C)NC(=O)OC(C)(C)C.CC(C)NC(=O)CNC(=O)OC(C)(C)C.CC(C)NC(=O)c1cccnc1.CC(C)NC(C)c1ccccc1.CC(C)NCCc1ccccc1.CC(C)NCc1ccccc1.CCC(=O)NC(C)C.Cc1cc(C(C)C)on1.Cc1ccc2c(c1)C(=O)N(C(C)C)C2.Cc1ccc2c(c1)C(=O)N(C(C)C)C2.Cc1ccc2c(c1)C(=O)N(C(C)C)C2.Cc1ccc2c(c1)CN(C(C)C)C2=O
InChIInChI=1S/C12H12N2O.4C12H15NO.2C11H12BrNO.3C11H12FNO.C11H22N2O3.C11H13NO.2C11H17N.C10H20N2O3.C10H15N.C9H12N2O.C7H11NO.C7H15NO.C6H13NO.C5H11NO/c1-8(2)14-7-11-9(6-13)4-3-5-10(11)12(14)15;1-8(2)13-7-10-6-9(3)4-5-11(10)12(13)14;3*1-8(2)13-7-10-5-4-9(3)6-11(10)12(13)14;1-7(2)13-6-8-5-9(12)3-4-10(8)11(13)14;1-7(2)13-6-9-8(11(13)14)4-3-5-10(9)12;1-7(2)13-6-8-5-9(12)3-4-10(8)11(13)14;1-7(2)13-6-9-8(11(13)14)4-3-5-10(9)12;1-7(2)13-6-8-4-3-5-9(12)10(8)11(13)14;1-7(2)12-9(14)8(3)13-10(15)16-11(4,5)6;1-8(2)12-7-9-5-3-4-6-10(9)11(12)13;1-9(2)12-10(3)11-7-5-4-6-8-11;1-10(2)12-9-8-11-6-4-3-5-7-11;1-7(2)12-8(13)6-11-9(14)15-10(3,4)5;1-9(2)11-8-10-6-4-3-5-7-10;1-7(2)11-9(12)8-4-3-5-10-6-8;1-5(2)7-4-6(3)8-9-7;1-5(2)7(9)8-6(3)4;1-4-6(8)7-5(2)3;1-4(2)6-5(3)7/h3-5,8H,7H2,1-2H3;4*4-6,8H,7H2,1-3H3;5*3-5,7H,6H2,1-2H3;7-8H,1-6H3,(H,12,14)(H,13,15);3-6,8H,7H2,1-2H3;4-10,12H,1-3H3;3-7,10,12H,8-9H2,1-2H3;7H,6H2,1-5H3,(H,11,14)(H,12,13);3-7,9,11H,8H2,1-2H3;3-7H,1-2H3,(H,11,12);4-5H,1-3H3;5-6H,1-4H3,(H,8,9);5H,4H2,1-3H3,(H,7,8);4H,1-3H3,(H,6,7)
InChIKeyJYPNGUKLSDBINC-UHFFFAOYSA-N
XLogP41.17
TPSA573.47 Ų
H-Bond Donors11
H-Bond Acceptors28
Rotatable Bonds35
Heavy Atoms265
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003777.68
LogP ≤ 541.17
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1028

Analyze N-benzylpropan-2-amine;4-bromo-2-propan-2-yl-3H-isoindol-1-one;5-bromo-2-propan-2-yl-3H-isoindol-1-one;tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;4-fluoro-2-propan-2-yl-3H-isoindol-1-one;5-fluoro-2-propan-2-yl-3H-isoindol-1-one;7-fluoro-2-propan-2-yl-3H-isoindol-1-one;5-methyl-2-propan-2-yl-3H-isoindol-1-one;tris(6-methyl-2-propan-2-yl-3H-isoindol-1-one);3-methyl-5-propan-2-yl-1,2-oxazole;2-methyl-N-propan-2-ylpropanamide;1-oxo-2-propan-2-yl-3H-isoindole-4-carbonitrile;N-(1-phenylethyl)propan-2-amine;N-(2-phenylethyl)propan-2-amine;N-propan-2-ylacetamide;2-propan-2-yl-3H-isoindol-1-one;N-propan-2-ylpropanamide;N-propan-2-ylpyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-benzylpropan-2-amine;4-bromo-2-propan-2-yl-3H-isoindol-1-one;5-bromo-2-propan-2-yl-3H-isoindol-1-one;tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;4-fluoro-2-propan-2-yl-3H-isoindol-1-one;5-fluoro-2-propan-2-yl-3H-isoindol-1-one;7-fluoro-2-propan-2-yl-3H-isoindol-1-one;5-methyl-2-propan-2-yl-3H-isoindol-1-one;tris(6-methyl-2-propan-2-yl-3H-isoindol-1-one);3-methyl-5-propan-2-yl-1,2-oxazole;2-methyl-N-propan-2-ylpropanamide;1-oxo-2-propan-2-yl-3H-isoindole-4-carbonitrile;N-(1-phenylethyl)propan-2-amine;N-(2-phenylethyl)propan-2-amine;N-propan-2-ylacetamide;2-propan-2-yl-3H-isoindol-1-one;N-propan-2-ylpropanamide;N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of N-benzylpropan-2-amine;4-bromo-2-propan-2-yl-3H-isoindol-1-one;5-bromo-2-propan-2-yl-3H-isoindol-1-one;tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;4-fluoro-2-propan-2-yl-3H-isoindol-1-one;5-fluoro-2-propan-2-yl-3H-isoindol-1-one;7-fluoro-2-propan-2-yl-3H-isoindol-1-one;5-methyl-2-propan-2-yl-3H-isoindol-1-one;tris(6-methyl-2-propan-2-yl-3H-isoindol-1-one);3-methyl-5-propan-2-yl-1,2-oxazole;2-methyl-N-propan-2-ylpropanamide;1-oxo-2-propan-2-yl-3H-isoindole-4-carbonitrile;N-(1-phenylethyl)propan-2-amine;N-(2-phenylethyl)propan-2-amine;N-propan-2-ylacetamide;2-propan-2-yl-3H-isoindol-1-one;N-propan-2-ylpropanamide;N-propan-2-ylpyridine-3-carboxamide (CID 159062199) is N-benzylpropan-2-amine;4-bromo-2-propan-2-yl-3H-isoindol-1-one;5-bromo-2-propan-2-yl-3H-isoindol-1-one;tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;4-fluoro-2-propan-2-yl-3H-isoindol-1-one;5-fluoro-2-propan-2-yl-3H-isoindol-1-one;7-fluoro-2-propan-2-yl-3H-isoindol-1-one;5-methyl-2-propan-2-yl-3H-isoindol-1-one;tris(6-methyl-2-propan-2-yl-3H-isoindol-1-one);3-methyl-5-propan-2-yl-1,2-oxazole;2-methyl-N-propan-2-ylpropanamide;1-oxo-2-propan-2-yl-3H-isoindole-4-carbonitrile;N-(1-phenylethyl)propan-2-amine;N-(2-phenylethyl)propan-2-amine;N-propan-2-ylacetamide;2-propan-2-yl-3H-isoindol-1-one;N-propan-2-ylpropanamide;N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for N-benzylpropan-2-amine;4-bromo-2-propan-2-yl-3H-isoindol-1-one;5-bromo-2-propan-2-yl-3H-isoindol-1-one;tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;4-fluoro-2-propan-2-yl-3H-isoindol-1-one;5-fluoro-2-propan-2-yl-3H-isoindol-1-one;7-fluoro-2-propan-2-yl-3H-isoindol-1-one;5-methyl-2-propan-2-yl-3H-isoindol-1-one;tris(6-methyl-2-propan-2-yl-3H-isoindol-1-one);3-methyl-5-propan-2-yl-1,2-oxazole;2-methyl-N-propan-2-ylpropanamide;1-oxo-2-propan-2-yl-3H-isoindole-4-carbonitrile;N-(1-phenylethyl)propan-2-amine;N-(2-phenylethyl)propan-2-amine;N-propan-2-ylacetamide;2-propan-2-yl-3H-isoindol-1-one;N-propan-2-ylpropanamide;N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for N-benzylpropan-2-amine;4-bromo-2-propan-2-yl-3H-isoindol-1-one;5-bromo-2-propan-2-yl-3H-isoindol-1-one;tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;4-fluoro-2-propan-2-yl-3H-isoindol-1-one;5-fluoro-2-propan-2-yl-3H-isoindol-1-one;7-fluoro-2-propan-2-yl-3H-isoindol-1-one;5-methyl-2-propan-2-yl-3H-isoindol-1-one;tris(6-methyl-2-propan-2-yl-3H-isoindol-1-one);3-methyl-5-propan-2-yl-1,2-oxazole;2-methyl-N-propan-2-ylpropanamide;1-oxo-2-propan-2-yl-3H-isoindole-4-carbonitrile;N-(1-phenylethyl)propan-2-amine;N-(2-phenylethyl)propan-2-amine;N-propan-2-ylacetamide;2-propan-2-yl-3H-isoindol-1-one;N-propan-2-ylpropanamide;N-propan-2-ylpyridine-3-carboxamide is CC(=O)NC(C)C.CC(C)N1Cc2c(Br)cccc2C1=O.CC(C)N1Cc2c(C#N)cccc2C1=O.CC(C)N1Cc2c(F)cccc2C1=O.CC(C)N1Cc2cc(Br)ccc2C1=O.CC(C)N1Cc2cc(F)ccc2C1=O.CC(C)N1Cc2cccc(F)c2C1=O.CC(C)N1Cc2ccccc2C1=O.CC(C)NC(=O)C(C)C.CC(C)NC(=O)C(C)NC(=O)OC(C)(C)C.CC(C)NC(=O)CNC(=O)OC(C)(C)C.CC(C)NC(=O)c1cccnc1.CC(C)NC(C)c1ccccc1.CC(C)NCCc1ccccc1.CC(C)NCc1ccccc1.CCC(=O)NC(C)C.Cc1cc(C(C)C)on1.Cc1ccc2c(c1)C(=O)N(C(C)C)C2.Cc1ccc2c(c1)C(=O)N(C(C)C)C2.Cc1ccc2c(c1)C(=O)N(C(C)C)C2.Cc1ccc2c(c1)CN(C(C)C)C2=O.
What is the InChIKey of N-benzylpropan-2-amine;4-bromo-2-propan-2-yl-3H-isoindol-1-one;5-bromo-2-propan-2-yl-3H-isoindol-1-one;tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;4-fluoro-2-propan-2-yl-3H-isoindol-1-one;5-fluoro-2-propan-2-yl-3H-isoindol-1-one;7-fluoro-2-propan-2-yl-3H-isoindol-1-one;5-methyl-2-propan-2-yl-3H-isoindol-1-one;tris(6-methyl-2-propan-2-yl-3H-isoindol-1-one);3-methyl-5-propan-2-yl-1,2-oxazole;2-methyl-N-propan-2-ylpropanamide;1-oxo-2-propan-2-yl-3H-isoindole-4-carbonitrile;N-(1-phenylethyl)propan-2-amine;N-(2-phenylethyl)propan-2-amine;N-propan-2-ylacetamide;2-propan-2-yl-3H-isoindol-1-one;N-propan-2-ylpropanamide;N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is JYPNGUKLSDBINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O.4C12H15NO.2C11H12BrNO.3C11H12FNO.C11H22N2O3.C11H13NO.2C11H17N.C10H20N2O3.C10H15N.C9H12N2O.C7H11NO.C7H15NO.C6H13NO.C5H11NO/c1-8(2)14-7-11-9(6-13)4-3-5-10(11)12(14)15;1-8(2)13-7-10-6-9(3)4-5-11(10)12(13)14;3*1-8(2)13-7-10-5-4-9(3)6-11(10)12(13)14;1-7(2)13-6-8-5-9(12)3-4-10(8)11(13)14;1-7(2)13-6-9-8(11(13)14)4-3-5-10(9)12;1-7(2)13-6-8-5-9(12)3-4-10(8)11(13)14;1-7(2)13-6-9-8(11(13)14)4-3-5-10(9)12;1-7(2)13-6-8-4-3-5-9(12)10(8)11(13)14;1-7(2)12-9(14)8(3)13-10(15)16-11(4,5)6;1-8(2)12-7-9-5-3-4-6-10(9)11(12)13;1-9(2)12-10(3)11-7-5-4-6-8-11;1-10(2)12-9-8-11-6-4-3-5-7-11;1-7(2)12-8(13)6-11-9(14)15-10(3,4)5;1-9(2)11-8-10-6-4-3-5-7-10;1-7(2)11-9(12)8-4-3-5-10-6-8;1-5(2)7-4-6(3)8-9-7;1-5(2)7(9)8-6(3)4;1-4-6(8)7-5(2)3;1-4(2)6-5(3)7/h3-5,8H,7H2,1-2H3;4*4-6,8H,7H2,1-3H3;5*3-5,7H,6H2,1-2H3;7-8H,1-6H3,(H,12,14)(H,13,15);3-6,8H,7H2,1-2H3;4-10,12H,1-3H3;3-7,10,12H,8-9H2,1-2H3;7H,6H2,1-5H3,(H,11,14)(H,12,13);3-7,9,11H,8H2,1-2H3;3-7H,1-2H3,(H,11,12);4-5H,1-3H3;5-6H,1-4H3,(H,8,9);5H,4H2,1-3H3,(H,7,8);4H,1-3H3,(H,6,7).
What are the key properties of N-benzylpropan-2-amine;4-bromo-2-propan-2-yl-3H-isoindol-1-one;5-bromo-2-propan-2-yl-3H-isoindol-1-one;tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;4-fluoro-2-propan-2-yl-3H-isoindol-1-one;5-fluoro-2-propan-2-yl-3H-isoindol-1-one;7-fluoro-2-propan-2-yl-3H-isoindol-1-one;5-methyl-2-propan-2-yl-3H-isoindol-1-one;tris(6-methyl-2-propan-2-yl-3H-isoindol-1-one);3-methyl-5-propan-2-yl-1,2-oxazole;2-methyl-N-propan-2-ylpropanamide;1-oxo-2-propan-2-yl-3H-isoindole-4-carbonitrile;N-(1-phenylethyl)propan-2-amine;N-(2-phenylethyl)propan-2-amine;N-propan-2-ylacetamide;2-propan-2-yl-3H-isoindol-1-one;N-propan-2-ylpropanamide;N-propan-2-ylpyridine-3-carboxamide?
N-benzylpropan-2-amine;4-bromo-2-propan-2-yl-3H-isoindol-1-one;5-bromo-2-propan-2-yl-3H-isoindol-1-one;tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;4-fluoro-2-propan-2-yl-3H-isoindol-1-one;5-fluoro-2-propan-2-yl-3H-isoindol-1-one;7-fluoro-2-propan-2-yl-3H-isoindol-1-one;5-methyl-2-propan-2-yl-3H-isoindol-1-one;tris(6-methyl-2-propan-2-yl-3H-isoindol-1-one);3-methyl-5-propan-2-yl-1,2-oxazole;2-methyl-N-propan-2-ylpropanamide;1-oxo-2-propan-2-yl-3H-isoindole-4-carbonitrile;N-(1-phenylethyl)propan-2-amine;N-(2-phenylethyl)propan-2-amine;N-propan-2-ylacetamide;2-propan-2-yl-3H-isoindol-1-one;N-propan-2-ylpropanamide;N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 3777.68 g/mol, XLogP of 41.17, 35 rotatable bonds, 11 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylpropan-2-amine;4-bromo-2-propan-2-yl-3H-isoindol-1-one;5-bromo-2-propan-2-yl-3H-isoindol-1-one;tert-butyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate;tert-butyl N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamate;4-fluoro-2-propan-2-yl-3H-isoindol-1-one;5-fluoro-2-propan-2-yl-3H-isoindol-1-one;7-fluoro-2-propan-2-yl-3H-isoindol-1-one;5-methyl-2-propan-2-yl-3H-isoindol-1-one;tris(6-methyl-2-propan-2-yl-3H-isoindol-1-one);3-methyl-5-propan-2-yl-1,2-oxazole;2-methyl-N-propan-2-ylpropanamide;1-oxo-2-propan-2-yl-3H-isoindole-4-carbonitrile;N-(1-phenylethyl)propan-2-amine;N-(2-phenylethyl)propan-2-amine;N-propan-2-ylacetamide;2-propan-2-yl-3H-isoindol-1-one;N-propan-2-ylpropanamide;N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 159062199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).